SCHEMBL24348454

SCHEMBL24348454

Cc1nc(COC(=O)N2CCC(C)(O)C2)sc1-c1cccc(-c2cc(F)c3nn[nH]c3c2F)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 6/20 0.45
▸ ACACB O00763 1/20 0.34
▸ GHSR Q92847 1/20 0.31
▸ MAP3K5 Q99683 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26705913 0.94 BPGM (0.46) BPGMACACBGHSRMAP3K5
SCHEMBL24349410 0.92 BPGM (0.44) BPGMACACBMAP3K5
SCHEMBL24348045 0.87 BPGM (0.47) BPGMMAP3K5
SCHEMBL24348425 0.87 BPGM (0.48) BPGMMAP3K5
SCHEMBL24349248 0.85 BPGM (0.46) BPGMGHSRMAP3K5
SCHEMBL24348462 0.84 BPGM (0.45) BPGMMAP3K5
SCHEMBL24348391 0.84 BPGM (0.44) BPGM
SCHEMBL24348468 0.83 BPGM (0.44) BPGM
SCHEMBL26704394 0.82 BPGM (0.57) BPGM
SCHEMBL24349003 0.81 BPGM (0.51) BPGM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 — — WO disclosed
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